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A tensorial Green-function treatment of the electronic transmission properties of an atomic wire T-junction is presented within the framework of the tight-binding approximation. The adoption of the tensorial formalism enables overlap effects to be included in a straightforward manner, without the ne...
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The electronic structure of quasiperiodic lattices is studied. An alloy theory, including short-range order effects, is used to approximate Fibonacci and Thue–Morse lattices. Short-range order is treated by embedding small clusters in an alloy that itself incorporates a two-site approximation, and...
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McDowell's 1985 electronic bath theory of charge transfer is used to investigate the effect of varying surface temperature on the process of ion scattering from a solid surface. As a specific example, the system of Na+ scattered from W is modeled. The neutralization probability is found to have a si...
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The introduction of non-orthogonal atomic orbitals, into the tight-binding approximation, gives rise to the existence of overlap terms in electronic band-structure calculations. In contrast to the zero-overlap situation, it is helpful to employ a tensorial Green-function approach to access the surfa...
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A theoretical study of the electronic structure of the (111) surfaces of CoSi2 and NiSi2 and their interfaces with Si has been carried out with particular attention paid to the existence of localized states. A Green function method has been used within the empirical tight-binding approximation to ca...
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A tight-binding investigation is performed of the electronic structure of a semi-infinite monatomic chain, whose atomic orbitals are assumed to be non-orthogonal, so that the effects of overlap can be taken into account. In addition to markedly modifying the bulk band-edges, the presence of overlap ...
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A brief overview is given of the theory of surface-ion neutralization (SIN) by highlighting studies from the pioneering days to the present time. Emphasis is placed on the 1-electron time-dependent Newns-Anderson (TDNA) model, which has played such a key role in studying resonance charge transfer. R...
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A methodology of transmission through two-dimensional tight-binding lattices is presented. The theory is formulated in terms of matrix algebra and the relationships between the matrices are examined in detail. The features specific to tight-binding systems are contrasted to those for more general tr...
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